Structure of PDB 4ezh Chain A Binding Site BS02

Receptor Information

>4ezh Chain A (length=455) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ESYLSPAQSVKPKINTEEKLPREKLNPPTPSIYLESKRDAFSPVLLQFCT
DPRNPITVIRGLAGSLRLNLGLFSTKTLVEASGEHTVEVRTQVQQPSDEN
WDLTGTRQIWPCESSRSHTTIAKYAQYQASSFQESLQEELEVLFQHHIIK
FGTNIDLSDAKRWKPQLQELLKLPAFMRVTSTGNMLSHVGHTILGMNTVQ
LYMKVPGSRTPGHQENNNFCSVNINIGPGDCEWFAVHEHYWETISAFCDR
HGVDYLTGSWWPILDDLYASNIPVYRFVQRPGDLVWINAGTVHWVQATGW
CNNIAWNVGPLTAYQYQLALERYEWNEVKNVKSIVPMIHVSWNVARTVKI
SDPDLFKMIKFCLLQSMKHCQVQRESLVRAGKKIAYQGRVKDEPAYYCNE
CDVEVFNILFVTSTYLVHCEGCARRRSAGLQGVVVLEQYRTEELAQAYDA
FTLAP

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

4ezh Chain A Residue 1702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4ezh A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Resolution	2.52 Å
Binding residue (original residue number in PDB)	C1575 C1578 C1602 C1605
Binding residue (residue number reindexed from 1)	C398 C401 C419 C422
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.14.11.68: [histone H3]-trimethyl-L-lysine(27) demethylase.

External links

PDB	RCSB:4ezh, PDBe:4ezh, PDBj:4ezh
PDBsum	4ezh
PubMed	22842901
UniProt	Q5NCY0\|KDM6B_MOUSE Lysine-specific demethylase 6B (Gene Name=Kdm6b)

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